Vitas-M small molecule compound
cyclopentyl 2-methyl-5-oxo-7-(thiophen-2-yl)-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK071609
SMILES COc1ccc(c(c1OC)OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC1CCCC1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H33NO6S MW 523.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO6S/c1-16-24(29(32)36-18-8-5-6-9-18)25(19-11-12-22(33-2)28(35-4)27(19)34-3)26-20(30-16)14-17(15-21(26)31)23-10-7-13-37-23/h7,10-13,17-18,25,30H,5-6,8-9,14-15H2,1-4H3InChIKey
FUMAORQPDZWLRH-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=C(C(=C(C=C4)OC)OC)OC)C(=O)OC5CCCC5
COc1ccc(c(c1OC)OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC1CCCC1
cyclopentyl2methyl5oxo7(thiophen2yl)4(234trimethoxyphenyl)145678hexahydroquinoline3carboxylate
cyclopentyl2methyl5oxo7thiophen2yl4(234trimethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H33NO6Sc11624(29(32)3618856918)25(19111222(332)28(354)27(19)343)2620(3016)1417(1521(26)31)23107133723h7101317182530H56891415H214H3
MFCD02627362
STK071609
ZINC000001102592
ZINC000001102595
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